CID 71757384

Tert-butyl n-[(5-acetyl-6-methylpyridin-2-yl)methyl]carbamate

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC1=C(C=CC(=N1)CNC(=O)OC(C)(C)C)C(=O)C
InChI
InChI=1S/C14H20N2O3/c1-9-12(10(2)17)7-6-11(16-9)8-15-13(18)19-14(3,4)5/h6-7H,8H2,1-5H3,(H,15,18)
InChIKey
VYLMXAGMXNQEFV-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 162.0
[M+Na]+ 287.136618 168.9
[M-H]- 263.140124 164.6
[M+NH4]+ 282.181223 177.5
[M+K]+ 303.110558 167.5
[M+H-H2O]+ 247.144660 155.2
[M+HCOO]- 309.145601 182.2
[M+CH3COO]- 323.161251 200.7
[M+Na-2H]- 285.122066 165.1
[M]+ 264.14685142 165.2
[M]- 264.14794858 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.